cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 2,4-diphenylpentan-3-ylidenezirconium(2+); dichloride

Systemtic Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 2,4-diphenylpentan-3-ylidenezirconium(2+); dichloride Openeye Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; [2-phenyl-1-(1-phenylethyl)propylidene]zirconium(2+); dichloride CAS Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 2,4-diphenylpentan-3-ylidenezirconium(2+); dichloride IUPAC Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; 2,4-diphenylpentan-3-ylidenezirconium(2+); dichloride Traditional Name: cyclopenta-1,3-diene; 3,6-ditert-butyl-1,9-dihydrofluoren-1-ide; [2-phenyl-1-(1-phenylethyl)propylidene]zirconium(2+); dichloride Formula: C86H96Cl2Zr2-2 MolecularWeight: 1383.03644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=[Zr+2])C(C)C2=CC=CC=C2.CC(C1=CC=CC=C1)C(=[Zr+2])C(C)C2=CC=CC=C2.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

Isomeric SMILES

CC(C1=CC=CC=C1)C(=[Zr+2])C(C)C2=CC=CC=C2.CC(C1=CC=CC=C1)C(=[Zr+2])C(C)C2=CC=CC=C2.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.CC(C)(C)C1=CC2=C(CC3=C2C=C(C=[C-]3)C(C)(C)C)C=C1.C1C=CC=[C-]1.C1C=CC=[C-]1.[Cl-].[Cl-]

InChI

InChI=1S/2C21H25.2C17H18.2C5H5.2ClH.2Zr/c2*1-20(2,3)16-9-7-14-11-15-8-10-17(21(4,5)6)13-19(15)18(14)12-16;2*1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;2*1-2-4-5-3-1;;;;/h2*7,9-10,12-13H,11H2,1-6H3;2*3-12,14-15H,1-2H3;2*1-3H,4H2;2*1H;;/q2*-1;;;2*-1;;;2*+2/p-2